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Article Dans Une Revue Physical Review B: Condensed Matter and Materials Physics (1998-2015) Année : 2017

Quantum treatment of phonon scattering for modeling of three-dimensional atomistic transport

Résumé

Based on the nonequilibrium Green's function formalism, we show a numerically efficient method to treat inelastic scattering in multidimensional atomistic codes. Using a simple rescaling approach, we detail the calculations of the lowest-order approximation (LOA) [Y. Lee et al., Phys. Rev. B 93, 205411 (2016)] series to the usual, computationally intensive, self-consistent Born approximation (SCBA). This, combined with the analytic continuation technique of Pade approximants, is applied to an atomistic code based on a tight-binding sp(3)d(5)s* model for electrons and holes, and a modified valence-force-field method for phonons. Currents in Si and Ge gate-all-around nanowire transistors are then computed considering the main crystallographic transport directions (< 100 >, < 110 >, < 111 >) for both n-type and p-type devices. Our results show that in most configurations, third-order LOA currents are enough to achieve a high agreement with SCBA results, while reducing the calculation time by about one order. In addition, we propose a criterion to determine the validity of such expansion techniques.
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Dates et versions

hal-01694198 , version 1 (25-01-2022)

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Y. Lee, M. Bescond, N. Cavassilas, D. Logoteta, L. Raymond, et al.. Quantum treatment of phonon scattering for modeling of three-dimensional atomistic transport. Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2017, 95 (20), ⟨10.1103/PhysRevB.95.201412⟩. ⟨hal-01694198⟩
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